N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

C17H20N4O2 — CID 109111101

IUPACN-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCC(C)C)nn2)c1
InChIInChI=1S/C17H20N4O2/c1-11(2)10-18-16-8-7-15(20-21-16)17(23)19-14-6-4-5-13(9-14)12(3)22/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyKTAANOYYELHMOH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.00
Rot. Bonds6

About N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide

N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (PubChem CID 109111101) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
PubChem CID109111101
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCC(C)C)nn2)c1
InChIInChI=1S/C17H20N4O2/c1-11(2)10-18-16-8-7-15(20-21-16)17(23)19-14-6-4-5-13(9-14)12(3)22/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyKTAANOYYELHMOH-UHFFFAOYSA-N
XLogP3.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340332
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111125
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide (CID 109111101) is N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(NCC(C)C)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The InChIKey is KTAANOYYELHMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)10-18-16-8-7-15(20-21-16)17(23)19-14-6-4-5-13(9-14)12(3)22/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide?
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).